CFam Chemical Families Database
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You are searching for "CFAMM00109727" in compound.

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CFAM Mol ID CFAMM00109727
Family CFFAD880 Aldehyde oxidase Inhibitor Isovanillin Family
Superfamily CFSAD739 Aldehyde oxidase Inhibitor Isovanillin Superfamily
Class CFCAD663 Class 663
External ID 12491631 External Source PubChem
PubChem CID 12491631 Functional Category Patent Compound
Molecule Name 4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
IUPAC Name 4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
Synonyms SBB019035;SureCN7017185;MolPort-005-306-810;STK694713;ZINC14988410;AKOS005605807;MCULE-6988673156;ST4146342;AB01334208-02
InChi InChI=1S/C12H13NO3/c1-15-11-6-5-9(8-12(11)16-2)10(14)4-3-7-13/h5-6,8H,3-4H2,1-2H3
InChiKey VXADXTFGDCLVIC-UHFFFAOYSA-N
Formula C12H13NO3 Molecular Weight 219.24
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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